SCHEMBL18812296

SCHEMBL18812296

CCOc1ccc(C=O)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NQO1 P15559 1/20 0.45
ERN1 O75460 2/20 0.44
TERT O14746 1/20 0.43
ABCB11 O95342 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3214487 0.86 MEN1 (0.54) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL16360790 0.82 TUBB1 (0.37) ALDH1A1LMNAMAPTHSD17B10ERN1
SCHEMBL16856647 0.82 TUBB1 (0.37) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL12238282 0.82 KDM4E (0.58) ALDH1A1LMNAMAPTTP53CYP3A4
SCHEMBL27721534 0.81 LMNA (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL12238327 0.81 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHSD17B10GAA
SCHEMBL3721962 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9498221 0.80 NQO1 (0.46) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL1125718 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHSD17B10NQO1
SCHEMBL271557 0.80 LMNA (0.51) ALDH1A1LMNAMAPTTSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220175944-A1 ANTI-CD117 ANTIBODY-DRUG CONJUGATES AND USES THEREOF Magenta Therapeutics, Inc. 2022-06-09 US disclosed
US-20220177578-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. 2022-06-09 US disclosed
US-20200164084-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST AND COMBINATION THERAPIES NOVARTIS AG (CH) 2020-05-28 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220177578-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF MYADM, SIGLEC7, ITGB7 ALDH1A1 424/4885LMNA 3481/4885MAPT 4561/4885
US-20220175944-A1 ANTI-CD117 ANTIBODY-DRUG CONJUGATES AND USES THEREOF ITGB7, KIT, CD2 ALDH1A1 93/4885LMNA 4568/4885MAPT 3616/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB ALDH1A1 1924/4885LMNA 3771/4885MAPT 2009/4885
US-20200164084-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST AND COMBINATION THERAPIES TLR3, TLR2, TLR9 ALDH1A1 2626/4885LMNA 3516/4885MAPT 3113/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.